pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.16	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2cc(CNCCCCO)sc2o1	[NH-]S(=O)(=O)c1cc2cc(CNCCCCO)sc2o1	mol18074	NS(=O)(=O)c1cc2cc(CNCCCCO)sc2o1
7.65	Baltruschat ChEMBL	1	0	NS(=O)(=O)c1cc2cc(C[NH2+]CCCCO)sc2o1	NS(=O)(=O)c1cc2cc(CNCCCCO)sc2o1	mol18074	NS(=O)(=O)c1cc2cc(CNCCCCO)sc2o1